# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn # implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1 # composition = Cu3Mn # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-01-04 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 9.749773360e+02 nan nan 0.90 8.865179211e+02 nan nan 0.92 8.070040331e+02 nan nan 0.94 7.354959526e+02 nan nan 0.96 6.711172595e+02 nan nan 0.98 6.130674629e+02 8.893392919e+02 1.003438875e+03 1.00 5.605873961e+02 8.159072631e+02 9.207987505e+02 1.02 5.129698799e+02 7.493749538e+02 8.456895412e+02 1.04 4.696652171e+02 6.889659150e+02 7.773247931e+02 1.06 4.302160963e+02 6.339647556e+02 7.150308977e+02 1.08 3.942150069e+02 5.838077481e+02 6.582149188e+02 1.10 3.612890037e+02 5.380242333e+02 6.063281461e+02 1.12 3.310959625e+02 4.961771619e+02 5.588838097e+02 1.14 3.033505219e+02 4.578371530e+02 5.154608685e+02 1.16 2.778149317e+02 4.226042269e+02 4.756789512e+02 1.18 2.542848492e+02 3.901318589e+02 4.391893546e+02 1.20 2.325946149e+02 3.601188675e+02 4.056925825e+02 1.22 2.125923129e+02 3.322971146e+02 3.749054903e+02 1.24 1.941314180e+02 3.064665819e+02 3.465749945e+02 1.26 1.770757052e+02 2.824771080e+02 3.204724044e+02 1.28 1.612983917e+02 2.601974595e+02 2.963837583e+02 1.30 1.466875651e+02 2.395031439e+02 2.741024030e+02 1.32 1.331594698e+02 2.202688430e+02 2.534300710e+02 1.34 1.206403517e+02 2.023788993e+02 2.341892013e+02 1.36 1.090607763e+02 1.857311924e+02 2.162462508e+02 1.38 9.836014946e+01 1.702435828e+02 1.995028830e+02 1.40 8.848685042e+01 1.558477644e+02 1.838708650e+02 1.42 7.939370863e+01 1.424797676e+02 1.692702046e+02 1.44 7.103481710e+01 1.300745955e+02 1.556310940e+02 1.46 6.336180916e+01 1.185660437e+02 1.428946069e+02 1.48 5.633035908e+01 1.078920354e+02 1.310043078e+02 1.50 4.989975481e+01 9.799585510e+01 1.199083196e+02 1.52 4.403250657e+01 8.882653630e+01 1.095586878e+02 1.54 3.869370398e+01 8.033834243e+01 9.991047549e+01 1.56 3.385051718e+01 7.248928719e+01 9.092341598e+01 1.58 2.947125691e+01 6.524330729e+01 8.256262322e+01 1.60 2.552300983e+01 5.856640544e+01 7.479800859e+01 1.62 2.197362953e+01 5.242565271e+01 6.759984507e+01 1.64 1.879238207e+01 4.678975362e+01 6.093848993e+01 1.66 1.594989620e+01 4.162739810e+01 5.478385606e+01 1.68 1.341832268e+01 3.690873072e+01 4.910543031e+01 1.70 1.117011400e+01 3.260573555e+01 4.387362732e+01 1.72 9.178574141e+00 2.869081831e+01 3.906040622e+01 1.74 7.418720538e+00 2.513619052e+01 3.464067015e+01 1.76 5.866379213e+00 2.191660813e+01 3.059200383e+01 1.78 4.497840033e+00 1.901008142e+01 2.689397968e+01 1.80 3.291045686e+00 1.639445602e+01 2.352679784e+01 1.82 2.231557367e+00 1.404794541e+01 2.047121303e+01 1.84 1.309999353e+00 1.194944859e+01 1.770744775e+01 1.86 5.160145164e-01 1.007838197e+01 1.521479521e+01 1.88 -1.612305159e-01 8.414278237e+00 1.297304584e+01 1.90 -7.327452602e-01 6.937122794e+00 1.096214126e+01 1.92 -1.210068675e+00 5.628169924e+00 9.161319365e+00 1.94 -1.603945185e+00 4.469218034e+00 7.552157936e+00 1.96 -1.924575318e+00 3.442673912e+00 6.118064029e+00 1.98 -2.182104541e+00 2.531901283e+00 4.842763641e+00 2.00 -2.386530979e+00 1.720920679e+00 3.709929518e+00 2.02 -2.547365801e+00 9.962387044e-01 2.704376690e+00 2.04 -2.674124420e+00 3.503849150e-01 1.816074176e+00 2.06 -2.776273239e+00 -2.221023864e-01 1.036329904e+00 2.08 -2.861369703e+00 -7.260883342e-01 3.565515417e-01 2.10 -2.931865761e+00 -1.166527960e+00 -2.316061463e-01 2.12 -2.989486100e+00 -1.548408450e+00 -7.362750974e-01 2.14 -3.036533601e+00 -1.876276942e+00 -1.165524446e+00 2.16 -3.075198906e+00 -2.154337109e+00 -1.527443491e+00 2.18 -3.107321462e+00 -2.386690309e+00 -1.830129782e+00 2.20 -3.134218523e+00 -2.577314098e+00 -2.081352605e+00 2.22 -3.156858737e+00 -2.730314774e+00 -2.288670336e+00 2.24 -3.175208216e+00 -2.850410210e+00 -2.459575302e+00 2.26 -3.188924442e+00 -2.943412380e+00 -2.601341402e+00 2.28 -3.197636816e+00 -3.015344815e+00 -2.720385391e+00 2.30 -3.200928112e+00 -3.072172433e+00 -2.822659608e+00 2.32 -3.198346895e+00 -3.119238379e+00 -2.913203358e+00 2.34 -3.189691638e+00 -3.159413783e+00 -2.993650384e+00 2.36 -3.175081140e+00 -3.194124161e+00 -3.064510040e+00 2.38 -3.154764403e+00 -3.223591702e+00 -3.126273090e+00 2.40 -3.129157255e+00 -3.247829832e+00 -3.179424423e+00 2.42 -3.098782057e+00 -3.266777397e+00 -3.224406946e+00 2.44 -3.064217696e+00 -3.280321381e+00 -3.261623185e+00 2.46 -3.026058975e+00 -3.288324743e+00 -3.291567380e+00 2.48 -2.984884937e+00 -3.290955472e+00 -3.314636181e+00 2.50 -2.941243351e+00 -3.288668939e+00 -3.331125598e+00 2.52 -2.895645155e+00 -3.281900747e+00 -3.341258930e+00 2.54 -2.848552703e+00 -3.271018929e+00 -3.345185248e+00 2.56 -2.800373266e+00 -3.256356966e+00 -3.342980792e+00 2.58 -2.751462431e+00 -3.238146385e+00 -3.334717828e+00 2.60 -2.702137441e+00 -3.216488606e+00 -3.320793935e+00 2.62 -2.652695348e+00 -3.191520511e+00 -3.301756132e+00 2.64 -2.603424217e+00 -3.163419774e+00 -3.278142870e+00 2.66 -2.554479816e+00 -3.132388385e+00 -3.250482475e+00 2.68 -2.505835201e+00 -3.098624639e+00 -3.219413598e+00 2.70 -2.457427333e+00 -3.062301519e+00 -3.185655560e+00 2.72 -2.409154343e+00 -3.023575024e+00 -3.149807190e+00 2.74 -2.360868505e+00 -2.982602696e+00 -3.112120114e+00 2.76 -2.312382598e+00 -2.939557764e+00 -3.072795162e+00 2.78 -2.263491372e+00 -2.894631158e+00 -3.032017415e+00 2.80 -2.214005439e+00 -2.848026299e+00 -2.989959194e+00 2.82 -2.163777560e+00 -2.799945651e+00 -2.946779498e+00 2.84 -2.112712513e+00 -2.750589381e+00 -2.902625343e+00 2.86 -2.060762728e+00 -2.700192761e+00 -2.857736843e+00 2.88 -2.007915120e+00 -2.648976125e+00 -2.812419267e+00 2.90 -1.954175708e+00 -2.597127483e+00 -2.766942634e+00 2.92 -1.899557365e+00 -2.544817662e+00 -2.721531663e+00 2.94 -1.844131252e+00 -2.492212670e+00 -2.676360924e+00 2.96 -1.788053433e+00 -2.439461462e+00 -2.631532034e+00 2.98 -1.731479517e+00 -2.386616176e+00 -2.586959859e+00 3.00 -1.674565707e+00 -2.333695182e+00 -2.542482575e+00 3.02 -1.617469094e+00 -2.280721606e+00 -2.497940339e+00 3.04 -1.560346182e+00 -2.227723095e+00 -2.453194622e+00 3.06 -1.503351408e+00 -2.174729896e+00 -2.408138733e+00 3.08 -1.446635726e+00 -2.121771246e+00 -2.362698506e+00 3.10 -1.390345216e+00 -2.068870703e+00 -2.316825988e+00 3.12 -1.334619931e+00 -2.016045921e+00 -2.270490270e+00 3.14 -1.279592991e+00 -1.963308056e+00 -2.223668706e+00 3.16 -1.225389812e+00 -1.910656546e+00 -2.176339936e+00 3.18 -1.172127502e+00 -1.858083795e+00 -2.128478782e+00 3.20 -1.119914468e+00 -1.805583323e+00 -2.080053206e+00 3.22 -1.068857253e+00 -1.753158023e+00 -2.031029755e+00 3.24 -1.019066019e+00 -1.700825703e+00 -1.981380140e+00 3.26 -9.706429062e-01 -1.648620478e+00 -1.931081458e+00 3.28 -9.236807388e-01 -1.596610051e+00 -1.880145239e+00 3.30 -8.782631703e-01 -1.544923029e+00 -1.828664986e+00 3.32 -8.344649131e-01 -1.493699857e+00 -1.776750199e+00 3.34 -7.923520453e-01 -1.443079208e+00 -1.724513024e+00 3.36 -7.519823778e-01 -1.393193607e+00 -1.672067522e+00 3.38 -7.134058675e-01 -1.344160418e+00 -1.619528974e+00 3.40 -6.766650690e-01 -1.296037331e+00 -1.567013243e+00 3.42 -6.417956130e-01 -1.248848988e+00 -1.514636198e+00 3.44 -6.088266942e-01 -1.202613842e+00 -1.462513190e+00 3.46 -5.777815676e-01 -1.157344125e+00 -1.410758552e+00 3.48 -5.486777643e-01 -1.113047708e+00 -1.359485056e+00 3.50 -5.214846772e-01 -1.069742021e+00 -1.308803236e+00 3.52 -4.960775020e-01 -1.027446698e+00 -1.258820446e+00 3.54 -4.723161903e-01 -9.861766812e-01 -1.209639531e+00 3.56 -4.500570218e-01 -9.459420957e-01 -1.161357048e+00 3.58 -4.291529910e-01 -9.067483558e-01 -1.114061285e+00 3.60 -4.094691789e-01 -8.686005033e-01 -1.067836435e+00 3.62 -3.909117510e-01 -8.315041765e-01 -1.022761987e+00 3.64 -3.733940703e-01 -7.954606682e-01 -9.789040887e-01 3.66 -3.568293099e-01 -7.604764297e-01 -9.363153964e-01 3.68 -3.411305101e-01 -7.265796091e-01 -8.950368995e-01 3.70 -3.262106495e-01 -6.937984719e-01 -8.551008657e-01 3.72 -3.119827298e-01 -6.621572607e-01 -8.165341692e-01 3.74 -2.983597886e-01 -6.316764081e-01 -7.793612149e-01 3.76 -2.852550803e-01 -6.023727627e-01 -7.436059056e-01 3.78 -2.726013517e-01 -5.742598216e-01 -7.092924992e-01 3.80 -2.603782745e-01 -5.473479673e-01 -6.764455234e-01 3.82 -2.485729982e-01 -5.216447049e-01 -6.450890826e-01 3.84 -2.371730794e-01 -4.971548977e-01 -6.152458927e-01 3.86 -2.261669519e-01 -4.738809993e-01 -5.869362914e-01 3.88 -2.155437090e-01 -4.518232789e-01 -5.601773554e-01 3.90 -2.052937838e-01 -4.309758541e-01 -5.349758943e-01 3.92 -1.954086274e-01 -4.112900050e-01 -5.112727845e-01 3.94 -1.858815293e-01 -3.926921296e-01 -4.889705827e-01 3.96 -1.767074939e-01 -3.751069791e-01 -4.679688685e-01 3.98 -1.678834650e-01 -3.584580955e-01 -4.481648916e-01 4.00 -1.594091911e-01 -3.426679526e-01 -4.294537789e-01 4.02 -1.512861622e-01 -3.276636709e-01 -4.117365596e-01 4.04 -1.435184448e-01 -3.133940378e-01 -3.949443237e-01 4.06 -1.361126210e-01 -2.998133790e-01 -3.790156605e-01 4.08 -1.290754276e-01 -2.868762390e-01 -3.638889763e-01 4.10 -1.224137406e-01 -2.745373670e-01 -3.495025433e-01 4.12 -1.161338947e-01 -2.627518792e-01 -3.357945215e-01 4.14 -1.102385580e-01 -2.514753312e-01 -3.227029581e-01 4.16 -1.047217072e-01 -2.406638290e-01 -3.101658694e-01 4.18 -9.957330404e-02 -2.302741862e-01 -2.981211998e-01 4.20 -9.477632043e-02 -2.202640536e-01 -2.865068855e-01 4.22 -9.030588664e-02 -2.105977990e-01 -2.752695661e-01 4.24 -8.610424129e-02 -2.012642473e-01 -2.643906543e-01 4.26 -8.213241864e-02 -1.922589540e-01 -2.538603322e-01 4.28 -7.838174668e-02 -1.835790955e-01 -2.436687845e-01 4.30 -7.483950667e-02 -1.752227079e-01 -2.338062801e-01 4.32 -7.149225724e-02 -1.671889577e-01 -2.242631832e-01 4.34 -6.834593163e-02 -1.594780199e-01 -2.150298330e-01 4.36 -6.536927408e-02 -1.520894613e-01 -2.060968660e-01 4.38 -6.244185879e-02 -1.450227087e-01 -1.974547414e-01 4.40 -5.946691344e-02 -1.382761432e-01 -1.890942349e-01 4.42 -5.637297013e-02 -1.318447105e-01 -1.810062716e-01 4.44 -5.311246992e-02 -1.257206264e-01 -1.731815517e-01 4.46 -4.965998368e-02 -1.198934351e-01 -1.656112968e-01 4.48 -4.600991121e-02 -1.143492163e-01 -1.582868489e-01 4.50 -4.227011356e-02 -1.090684322e-01 -1.511991188e-01 4.52 -3.856113281e-02 -1.040310883e-01 -1.443397295e-01 4.54 -3.498041457e-02 -9.921743092e-02 -1.377006939e-01 4.56 -3.160177119e-02 -9.460771906e-02 -1.312732412e-01 4.58 -2.847535419e-02 -9.018317371e-02 -1.250490044e-01 4.60 -2.562893881e-02 -8.590793074e-02 -1.190205495e-01 4.62 -2.307065516e-02 -8.176542744e-02 -1.131808183e-01 4.64 -2.079285823e-02 -7.775840580e-02 -1.075210296e-01 4.66 -1.877654289e-02 -7.388839205e-02 -1.020328903e-01 4.68 -1.699565388e-02 -7.015633588e-02 -9.671057943e-02 4.70 -1.542079373e-02 -6.656292087e-02 -9.154866630e-02 4.72 -1.402208305e-02 -6.310893005e-02 -8.654187702e-02 4.74 -1.277115520e-02 -5.981314990e-02 -8.166107793e-02 4.76 -1.164240618e-02 -5.665165527e-02 -7.690296878e-02 4.78 -1.061366781e-02 -5.358144089e-02 -7.228475406e-02 4.80 -9.666463044e-03 -5.056725646e-02 -6.782075324e-02 4.82 -8.785972980e-03 -4.758063109e-02 -6.352310761e-02 4.84 -7.960815634e-03 -4.459911058e-02 -5.940401396e-02 4.86 -7.182712927e-03 -4.160567564e-02 -5.549714043e-02 4.88 -6.446103314e-03 -3.858838295e-02 -5.174972307e-02 4.90 -5.747740822e-03 -3.554021587e-02 -4.809088754e-02 4.92 -5.086305975e-03 -3.245276454e-02 -4.446426601e-02 4.94 -4.462030529e-03 -2.933950958e-02 -4.082777458e-02 4.96 -3.876107312e-03 -2.624711046e-02 -3.715612988e-02 4.98 -3.330014448e-03 -2.321959017e-02 -3.343847576e-02 5.00 -2.825316259e-03 -2.029757298e-02 -2.966912966e-02 5.02 -2.363533837e-03 -1.751796213e-02 -2.590709209e-02 5.04 -1.945984658e-03 -1.491328608e-02 -2.225268157e-02 5.06 -1.573600405e-03 -1.251081155e-02 -1.879054648e-02 5.08 -1.246739647e-03 -1.033157496e-02 -1.558806829e-02 5.10 -9.650184356e-04 -8.389521457e-03 -1.269428287e-02 5.12 -7.271852958e-04 -6.690945840e-03 -1.013951090e-02 5.14 -5.310653899e-04 -5.234392886e-03 -7.935992372e-03 5.16 -3.735909021e-04 -4.011098530e-03 -6.079617466e-03 5.18 -2.509216075e-04 -3.005955997e-03 -4.552617657e-03 5.20 -1.586440618e-04 -2.198897951e-03 -3.326895800e-03 5.22 -9.202388270e-05 -1.566521719e-03 -2.367582670e-03 5.24 -4.627704416e-05 -1.083762660e-03 -1.636422799e-03 5.26 -1.682510231e-05 -7.254395316e-04 -1.094688786e-03 5.28 4.945145252e-07 -4.675424793e-04 -7.054548320e-04 5.30 9.281042941e-06 -2.881923571e-04 -4.351844092e-04 5.32 1.249132089e-05 -1.682549400e-04 -2.546787565e-04 5.34 1.242409711e-05 -9.163625462e-05 -1.394863983e-04 5.36 1.075564585e-05 -4.531229825e-05 -6.989515573e-05 5.38 8.611550637e-06 -1.915857499e-05 -3.062743384e-05 5.40 6.659768298e-06 -5.645171114e-06 -1.034609857e-05 5.42 5.212477507e-06 5.445879883e-07 -1.058692244e-06 5.44 4.327564168e-06 2.925750391e-06 2.513561954e-06 5.46 3.903980505e-06 3.620517829e-06 3.555773423e-06 5.48 3.768074977e-06 3.743169350e-06 3.739753991e-06 5.50 3.750080614e-06 3.749999713e-06 3.749999569e-06 5.52 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.54 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.56 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.58 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.60 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.62 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.64 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.66 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.68 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.70 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.72 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.74 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.76 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.78 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.80 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.82 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.84 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.86 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.88 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.90 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.92 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.94 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.96 3.750000000e-06 3.750000000e-06 3.750000000e-06 5.98 3.750000000e-06 3.750000000e-06 3.750000000e-06 6.00 3.750000000e-06 3.750000000e-06 3.750000000e-06